5RBO
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY A07A
Descriptor:Endothiapepsin, (2-aminopyridin-3-yl)methanol, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBP
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY B03A
Descriptor:Endothiapepsin, 2-[(1~{S})-1-azanylpropyl]phenol, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBQ
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY B06B
Descriptor:Endothiapepsin, (1S)-1-(4-nitrophenyl)ethan-1-ol, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBR
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY C04A
Descriptor:Endothiapepsin, 2-hydrazinyl-4-methoxypyrimidine, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBS
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY C08A
Descriptor:Endothiapepsin, (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, GLYCEROL, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBT
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY C11B
Descriptor:Endothiapepsin, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBU
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY D01A
Descriptor:Endothiapepsin, 2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBV
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY D04A
Descriptor:Endothiapepsin, methyl 4-fluoro-L-phenylalaninate, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBW
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY D06B
Descriptor:Endothiapepsin, (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBX
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY D10A
Descriptor:Endothiapepsin, GLYCEROL, ACETATE ION, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBY
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY D11B
Descriptor:Endothiapepsin, GLYCEROL, ACETATE ION, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBZ
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY E05A
Descriptor:Endothiapepsin, 2-(2-methylphenyl)acetamide, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC0
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY E06A
Descriptor:Endothiapepsin, GLYCEROL, ACETATE ION, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC1
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY E07A
Descriptor:Endothiapepsin, 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC2
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY E11B
Descriptor:Endothiapepsin, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC3
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY F03A
Descriptor:Endothiapepsin, N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC4
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY F04A
Descriptor:Endothiapepsin, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC5
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY F06B
Descriptor:Endothiapepsin, (2R)-N-tert-butylpiperidine-2-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC6
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY F08B
Descriptor:Endothiapepsin, 4-[(methylamino)methyl]phenol, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC7
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY F11A
Descriptor:Endothiapepsin, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC8
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY G02A
Descriptor:Endothiapepsin, methyl [3-(aminomethyl)phenoxy]acetate, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC9
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY G03B
Descriptor:Endothiapepsin, 3-ethoxybenzene-1-carboximidamide, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCA
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY G08B
Descriptor:Endothiapepsin, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCB
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY G09A
Descriptor:Endothiapepsin, GLYCEROL, ACETATE ION, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCC
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PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED STATE MODEL FOR FRAGMENT F2X-ENTRY LIBRARY H02B
Descriptor:Endothiapepsin, 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S., Wollenhaupt, J., Metz, A., Barthel, T., Lima, G.M.A., Heine, A., Mueller, U., Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
170383
PDB entries from 2020-10-28